N-(4-oxo-5-methyl-2-thiazolin-2-yl)-N'-p-chlorophenylthioethylidenehydrazine

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: N-(4-oxo-5-methyl-2-thiazolin-2-yl)-N'-p-chlorophenylthioethylidenehydrazine
• 英文别名: (2E)-2-[(E)-2-(4-chlorophenyl)sulfanylethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
• 化学式: C₁₂H₁₂ClN₃OS₂
• 分子量: 313.832
• InChiKey: ZKHDBSVVCBVHBJ-MKMNVTDBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  104
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (4-氯-苯基硫烷基)-乙醛 在 sodium acetate 、 溶剂黄146 作用下， 生成 N-(4-oxo-5-methyl-2-thiazolin-2-yl)-N'-p-chlorophenylthioethylidenehydrazine
  参考文献：
  名称：

  Synthesis, docking, and in vitro activity of thiosemicarbazones, aminoacyl-thiosemicarbazides and acyl-thiazolidones against Trypanosoma cruzi

  摘要：

  A novel series of thiosemicarbazone and aminoacyl-thiazolidones derivatives were synthesized. Their structure Suggests that these compounds could have anti-Trypanosoma cruzi activity. Biological evaluation indicates that some of these compounds are able to inhibit the growth of T cruzi in concentrations non-cytotoxic to mammalian cells. Docking studies were carried out in order to investigate the binding pattern of these compounds for the T cruzi cruzain (TCC) protein, and these showed a significant correlation with experimental data. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.01.034